input word = C00056638

Metabolite InformationStructural formula
Name Floralginsenoside Td
Formula C53H90O24
Mw 1110.58220381
CAS RN 1207640-63-8
C_ID C00056638
InChIKey YHOFSUBFLXNGPG-JOGBZWQKSA-N
InChICode InChI=1S/C53H90O24/c1-22(2)26(77-68)10-16-53(8,76-47-43(67)39(63)37(61)29(73-47)21-70-45-41(65)34(58)25(57)20-69-45)23-9-14-52(7)33(23)24(56)17-31-50(5)13-12-32(49(3,4)30(50)11-15-51(31,52)6)74-48-44(40(64)36(60)28(19-55)72-48)75-46-42(66)38(62)35(59)27(18-54)71-46/h23-48,54-68H,1,9-21H2,2-8H3/t23-,24+,25-,26?,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
SMILES C=C(C)C(CC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
zoom in



OrganismPanax ginseng
ReferenceIkekawa, M. et al., Phytochemistry, 1972, 11, 3037-3040 (Betulafolienetetrol A, synth)